tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate

C16H24N2O3 — CID 25239151

IUPACtert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
SMILESCc1cc(C)c(NC(=O)CNC(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C16H24N2O3/c1-10-7-11(2)14(12(3)8-10)18-13(19)9-17-15(20)21-16(4,5)6/h7-8H,9H2,1-6H3,(H,17,20)(H,18,19)
InChIKeyYWNSMIVBBASTEY-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.08
Rot. Bonds3

About tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate

tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate (PubChem CID 25239151) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
PubChem CID25239151
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
SMILESCc1cc(C)c(NC(=O)CNC(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C16H24N2O3/c1-10-7-11(2)14(12(3)8-10)18-13(19)9-17-15(20)21-16(4,5)6/h7-8H,9H2,1-6H3,(H,17,20)(H,18,19)
InChIKeyYWNSMIVBBASTEY-UHFFFAOYSA-N
XLogP3.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate
CID 112997331
tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate
CID 47451260
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 78775976
methyl N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]carbamate
CID 75415569
tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate
CID 134311773
3,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 2757215
tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 23200830
(2S)-2-amino-3,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide;hydrochloride
CID 119685639
tert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate
CID 107249252
tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate
CID 165341337
tert-butyl N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]carbamate
CID 27784180

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate (CID 25239151) is tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate is Cc1cc(C)c(NC(=O)CNC(=O)OC(C)(C)C)c(C)c1.
What is the InChIKey of tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate?
The InChIKey is YWNSMIVBBASTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10-7-11(2)14(12(3)8-10)18-13(19)9-17-15(20)21-16(4,5)6/h7-8H,9H2,1-6H3,(H,17,20)(H,18,19).
What are the key properties of tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate?
tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate is sourced from PubChem (CID 25239151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).